Information card for entry 7114660

Structure parameters

• Formula: C28 H30 B2 N4 O2
• Calculated formula: C28 H30 B2 N4 O2
• SMILES: B1Nc2ccc3c4c2c(N1)ccc4c1ccc2NBNc4c2c1c3cc4.C1CCCO1.C1CCCO1
• Title of publication: Covalent assembly of a two-dimensional molecular 'sponge' on a Cu(111) surface: confined electronic surface states in open and closed pores
• Authors of publication: Aneliia Shchyrba; Susanne C. Martens; Christian Wackerlin; Manfred Matena; Toni Ivas; Hubert Wadepohl; Meike Stohr; Thomas A. Jung; Lutz H. Gade
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7628
• a: 11.8021 ± 0.0004 Å
• b: 11.1964 ± 0.0003 Å
• c: 10.108 ± 0.0003 Å
• α: 90°
• β: 115.025 ± 0.004°
• γ: 90°
• Cell volume: 1210.29 ± 0.07 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No